S-[3-[5-bromanyl-6-(ethanoylsulfanylmethyl)-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propyl] ethanethioate

Systemtic Name: S-[3-[5-bromanyl-6-(ethanoylsulfanylmethyl)-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propyl] ethanethioate Openeye Name: S-[3-[6-(acetylsulfanylmethyl)-5-bromo-3-methyl-2,4-dioxo-pyrimidin-1-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[6-[(acetylthio)methyl]-5-bromo-3-methyl-2,4-dioxo-1-pyrimidinyl]propyl] ester IUPAC Name: S-[3-[6-(acetylsulfanylmethyl)-5-bromo-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[6-[(acetylthio)methyl]-5-bromo-2,4-diketo-3-methyl-pyrimidin-1-yl]propyl] ester Formula: C13H17BrN2O4S2 MolecularWeight: 409.31908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCN1C(=C(C(=O)N(C1=O)C)Br)CSC(=O)C

Isomeric SMILES

CC(=O)SCCCN1C(=C(C(=O)N(C1=O)C)Br)CSC(=O)C

InChI

InChI=1S/C13H17BrN2O4S2/c1-8(17)21-6-4-5-16-10(7-22-9(2)18)11(14)12(19)15(3)13(16)20/h4-7H2,1-3H3